2,3-dihydroindol-1-yl-[2-(2,4,6-trimethylanilino)pyrimidin-5-yl]methanone

C22H22N4O — CID 109266071

IUPAC2,3-dihydroindol-1-yl-[2-(2,4,6-trimethylanilino)pyrimidin-5-yl]methanone
SMILESCc1cc(C)c(Nc2ncc(C(=O)N3CCc4ccccc43)cn2)c(C)c1
InChIInChI=1S/C22H22N4O/c1-14-10-15(2)20(16(3)11-14)25-22-23-12-18(13-24-22)21(27)26-9-8-17-6-4-5-7-19(17)26/h4-7,10-13H,8-9H2,1-3H3,(H,23,24,25)
InChIKeyANJGJRBBVLSUPM-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.35
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[2-(2,4,6-trimethylanilino)pyrimidin-5-yl]methanone

2,3-dihydroindol-1-yl-[2-(2,4,6-trimethylanilino)pyrimidin-5-yl]methanone (PubChem CID 109266071) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-(2,4,6-trimethylanilino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-(2,4,6-trimethylanilino)pyrimidin-5-yl]methanone
PubChem CID109266071
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name2,3-dihydroindol-1-yl-[2-(2,4,6-trimethylanilino)pyrimidin-5-yl]methanone
SMILESCc1cc(C)c(Nc2ncc(C(=O)N3CCc4ccccc43)cn2)c(C)c1
InChIInChI=1S/C22H22N4O/c1-14-10-15(2)20(16(3)11-14)25-22-23-12-18(13-24-22)21(27)26-9-8-17-6-4-5-7-19(17)26/h4-7,10-13H,8-9H2,1-3H3,(H,23,24,25)
InChIKeyANJGJRBBVLSUPM-UHFFFAOYSA-N
XLogP4.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[2-(2-methylanilino)pyrimidin-5-yl]methanone
CID 109265381
(2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 109265177
2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone
CID 109266139
2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone
CID 109255992
2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266092
[2-(2,4-difluoroanilino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109266122
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109266119
[2-(5-chloro-2-methylanilino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109266246
[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109266112
2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone
CID 109242381
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109108184
[2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109262976

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-(2,4,6-trimethylanilino)pyrimidin-5-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-(2,4,6-trimethylanilino)pyrimidin-5-yl]methanone (CID 109266071) is 2,3-dihydroindol-1-yl-[2-(2,4,6-trimethylanilino)pyrimidin-5-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-(2,4,6-trimethylanilino)pyrimidin-5-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-(2,4,6-trimethylanilino)pyrimidin-5-yl]methanone is Cc1cc(C)c(Nc2ncc(C(=O)N3CCc4ccccc43)cn2)c(C)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-(2,4,6-trimethylanilino)pyrimidin-5-yl]methanone?
The InChIKey is ANJGJRBBVLSUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-14-10-15(2)20(16(3)11-14)25-22-23-12-18(13-24-22)21(27)26-9-8-17-6-4-5-7-19(17)26/h4-7,10-13H,8-9H2,1-3H3,(H,23,24,25).
What are the key properties of 2,3-dihydroindol-1-yl-[2-(2,4,6-trimethylanilino)pyrimidin-5-yl]methanone?
2,3-dihydroindol-1-yl-[2-(2,4,6-trimethylanilino)pyrimidin-5-yl]methanone has a molecular weight of 358.45 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-(2,4,6-trimethylanilino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 109266071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).